Monomers
N-Allylstearamide
Identifiers
IUPAC name
N-prop-2-enyloctadecanamide
InchI
InChI=1S/C21H41NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(23)22-20-4-2/h4H,2-3,5-20H2,1H3,(H,22,23)
InchI Key
HKKGHYAJDLYYNC-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Isomeric SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC=C
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C21H41NO
Heavy Atom Count
23
Molecular Weight
323.565
Exact Molecular Weight
323.3188
Valence Electrons
136
Radical Electrons
0
tPSA
29.1
MolLogP
6.5501
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
64 63 0 0 0 0 0 0 0 0999 V2000
-6.0963 -2.2775 3.1046 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6583 -1.5979 1.7862 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5403 -2.3270 1.1681 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9930 -1.9595 -0.1319 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4257 -0.6184 -0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3242 0.5492 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5859 1.8566 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5118 2.2009 0.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8380 3.4833 -0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2265 3.6639 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1201 2.7897 -1.9154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3939 1.3722 -2.1453 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6916 0.5521 -2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9660 0.2842 -2.0526 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9294 1.3492 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1909 0.7088 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9764 -0.0622 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3019 -0.6112 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3152 -0.3649 -0.1051 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4089 -1.3858 1.7309 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6559 -1.9300 2.2224 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1731 -2.8320 1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3539 -4.1148 1.3993 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5905 -3.2346 2.9073 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2342 -2.3412 3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.8331 -1.5892 3.5596 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.2684 -0.5781 2.0916 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5570 -1.4428 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9070 -3.4161 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6702 -2.4522 1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1992 -2.7279 -0.4752 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7752 -2.1441 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9103 -0.6313 -1.4142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5363 -0.4247 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9819 0.7076 0.4443 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0089 0.4326 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3857 2.6449 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2574 1.7793 -1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0954 2.4774 1.2267 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 1.3952 0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6115 4.3179 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0918 3.6608 0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7764 4.7225 -1.4419 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0031 3.7699 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2159 3.2467 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 2.9622 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2221 1.3457 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8654 0.8673 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8570 0.9288 -3.7767 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 -0.4859 -2.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7516 -0.2267 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5498 -0.5109 -2.6442 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6417 2.1541 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2788 1.7895 -2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6394 0.0654 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8970 1.5393 -0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3163 -0.9454 -0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5314 0.5299 0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5493 -1.5833 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3846 -1.0969 2.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5495 -2.4858 3.1508 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3940 -2.4688 0.1478 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7185 -4.7685 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1360 -4.5113 2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
18 19 2 0
18 20 1 0
20 21 1 0
21 22 1 0
22 23 2 3
1 24 1 0
1 25 1 0
1 26 1 0
2 27 1 0
2 28 1 0
3 29 1 0
3 30 1 0
4 31 1 0
4 32 1 0
5 33 1 0
5 34 1 0
6 35 1 0
6 36 1 0
7 37 1 0
7 38 1 0
8 39 1 0
8 40 1 0
9 41 1 0
9 42 1 0
10 43 1 0
10 44 1 0
11 45 1 0
11 46 1 0
12 47 1 0
12 48 1 0
13 49 1 0
13 50 1 0
14 51 1 0
14 52 1 0
15 53 1 0
15 54 1 0
16 55 1 0
16 56 1 0
17 57 1 0
17 58 1 0
20 59 1 0
21 60 1 0
21 61 1 0
22 62 1 0
23 63 1 0
23 64 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers